|
Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
|
|
|
|
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
|
Geometry for C4H8O2S (Sulfolane)
1A C2
1910171554
InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2 INChIKey=HXJUTPCZVOIRIF-UHFFFAOYSA-N
MP2/6-311+G(3df,2pd)
Point group is not available
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
Atom - Atom Distances (Å)
Maximum atom distance is 0.0000Å
between atoms and .
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.